1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide

C13H15FN2O3S — CID 138018151

IUPAC1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ocnc2C)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-9-3-4-11(5-12(9)14)7-20(17,18)16-6-13-10(2)15-8-19-13/h3-5,8,16H,6-7H2,1-2H3
InChIKeySDQNDYPUBIRTJY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.05
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide

1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (PubChem CID 138018151) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
PubChem CID138018151
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2ocnc2C)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-9-3-4-11(5-12(9)14)7-20(17,18)16-6-13-10(2)15-8-19-13/h3-5,8,16H,6-7H2,1-2H3
InChIKeySDQNDYPUBIRTJY-UHFFFAOYSA-N
XLogP2.05
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide (CID 138018151) is 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2ocnc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
The InChIKey is SDQNDYPUBIRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-3-4-11(5-12(9)14)7-20(17,18)16-6-13-10(2)15-8-19-13/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide?
1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 138018151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).